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Chemical ID: 6652489

c1ccc(cc1)Oc2cccc(c2)C=NNC(=O)C(=O)Nc3ccccc3C(=O)N4CCOCC4

Chemical ID:

6652489

Name [?]:

N'-(2-morpholinocarbonylphenyl)-N-[(3-phenoxyphenyl)methyleneamino]oxamide

SMILES [?]:

c1ccc(cc1)Oc2cccc(c2)C=NNC(=O)C(=O)Nc3ccccc3C(=O)N4CCOCC4

InChi [?]:

InChI=1/C26H24N4O5/c31-24(28-23-12-5-4-11-22(23)26(33)30-13-15-34-16-14-30)25(32)29-27-18-19-7-6-10-21(17-19)35-20-8-2-1-3-9-20/h1-12,17-18H,13-16H2,(H,28,31)(H,29,32)

InChi Info:

AuxInfo=1/1/N:1,2,6,25,24,10,11,3,5,9,26,23,31,35,32,34,13,14,12,4,8,27,22,19,17,28,15,21,16,30,20,18,29,33,7/E:(2,3)(8,9)(13,14)(15,16)/rA:35nCCCCCCOCCCCCCCNNCOCONCCCCCCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;w14;s15;s16;d17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;d28;s28;s30;s31;s32;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄N₄O₅
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7432
Area:	711.391
Solvation:	-6.04156
Coulombic:	-78.1231

Bond Count [?]

All:	38
Single:	25
Double:	13
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	472.493
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	4.08
LogP (Chemaxon):	3.86

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value